Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16551558 | 0.99 | CCNE1 (0.41) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL99191 | 0.86 | CCNE2 (0.43) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL98381 | 0.85 | ALDH1A1 (0.54) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL97733 | 0.81 | CCNE2 (0.44) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL101563 | 0.78 | ALDH1A1 (0.40) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL99066 | 0.78 | CCNE2 (0.42) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL98715 | 0.78 | CCNE2 (0.42) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL99741 | 0.78 | ALDH1A1 (0.41) | CCNE1CDK2CCNE2ALDH1A1NPSR1 | |
| SCHEMBL98643 | 0.77 | CCNE2 (0.41) | CCNE1CDK2CCNE2ALDH1A1KDM1A | |
| SCHEMBL99287 | 0.77 | CCNE2 (0.41) | CCNE1CDK2CCNE2ALDH1A1NPSR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9132130-B2 | Purine derivative and antitumor agent using same | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2015-09-15 | — | — | US | claimed |
| EP-2426130-B1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KK (JP) | 2015-03-11 | — | — | EP | claimed |
| US-20120088765-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-04-12 | — | — | US | claimed |
| EP-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | claimed |
| US-9132130-B2 | Purine derivative and antitumor agent using same | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2015-09-15 | — | — | US | disclosed |
| EP-2426130-B1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KK (JP) | 2015-03-11 | — | — | EP | disclosed |
| US-20120088765-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-04-12 | — | — | US | disclosed |
| EP-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120088765-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | PNP, TYMP, DPYD | CCNE1 1574/4885CDK2 1086/4885CCNE2 3736/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.